(4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide

C8H10N2O2 — CID 70306734

IUPAC(4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide
SMILESNC(=O)[C@@H]1CC=CC2=C1CNO2
InChIInChI=1S/C8H10N2O2/c9-8(11)5-2-1-3-7-6(5)4-10-12-7/h1,3,5,10H,2,4H2,(H2,9,11)/t5-/m1/s1
InChIKeyLNMOILUEZLGKMQ-RXMQYKEDSA-N
MW166.18 g/mol
LogP-0.16
Rot. Bonds1

About (4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide

(4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide (PubChem CID 70306734) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide
PubChem CID70306734
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide
SMILESNC(=O)[C@@H]1CC=CC2=C1CNO2
InChIInChI=1S/C8H10N2O2/c9-8(11)5-2-1-3-7-6(5)4-10-12-7/h1,3,5,10H,2,4H2,(H2,9,11)/t5-/m1/s1
InChIKeyLNMOILUEZLGKMQ-RXMQYKEDSA-N
XLogP-0.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide?
The IUPAC name of (4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide (CID 70306734) is (4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide.
What is the SMILES notation for (4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide?
The canonical SMILES for (4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide is NC(=O)[C@@H]1CC=CC2=C1CNO2.
What is the InChIKey of (4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide?
The InChIKey is LNMOILUEZLGKMQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-8(11)5-2-1-3-7-6(5)4-10-12-7/h1,3,5,10H,2,4H2,(H2,9,11)/t5-/m1/s1.
What are the key properties of (4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide?
(4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide has a molecular weight of 166.18 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,3,4,5-tetrahydro-1,2-benzoxazole-4-carboxamide is sourced from PubChem (CID 70306734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).